HMDB0002706 RDKit 3D Canavanine 24 23 0 0 0 0 0 0 0 0999 V2000 4.0966 0.7373 0.9524 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3478 0.0610 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8592 -0.1187 -1.2510 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0108 -0.2380 0.4632 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9526 -0.6513 -0.1829 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0429 -0.6006 0.9236 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2257 0.1219 0.4194 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4035 -0.4062 -0.2392 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2344 -1.3346 -1.3944 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9942 0.8604 -0.8719 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3423 0.6129 -2.1883 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2584 2.0717 -0.5148 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9958 1.0708 0.6332 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1367 0.6603 -1.8646 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9862 -1.1109 -1.5646 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7786 0.0657 1.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3400 -1.7627 1.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3784 -0.3837 1.8174 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7368 0.9299 -0.3019 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6182 0.8609 1.2391 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1543 -0.8048 0.4218 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4890 -2.3205 -0.9683 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0811 -1.2098 -2.0594 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6217 2.8891 -0.5676 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 10 11 2 0 10 12 1 0 1 13 1 0 3 14 1 0 3 15 1 0 4 16 1 0 6 17 1 0 6 18 1 0 7 19 1 0 7 20 1 0 8 21 1 1 9 22 1 0 9 23 1 0 12 24 1 0 M END